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Prochaetoglobosin iii

  • Formula: C32H36N2O4

  • Molecular weight: 512.60

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(=O)CC(=C1)C)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C

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Prochaetoglobosin iii

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Prochaetoglobosin iii

  • First synonym: Prochaetoglobosin iii

  • Synonyms:

Identifiers / External links

  • CAS: 133613-78-2

  • PubChem CID: 6442362

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(=O)CC(=C1)C)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C

  • Isomeric smiles: C[C@H]/1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4C2(C(=O)/C=C/C(=O)C/C(=C1)/C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C

  • Inchi: InChI=1S/C32H36N2O4/c1-18-8-7-10-24-29-31(4,38-29)20(3)28-26(16-21-17-33-25-11-6-5-9-23(21)25)34-30(37)32(24,28)27(36)13-12-22(35)15-19(2)14-18/h5-7,9-14,17-18,20,24,26,28-29,33H,8,15-16H2,1-4H3,(H,34,37)/b10-7+,13-12+,19-14-/t18-,20-,24-,26-,28-,29-,31+,32?/m0/s1

  • Inchikey: ZIOWMHCMCYFIBL-RSRKAITBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H36N2O4

  • Molecular weight: 512.60

  • Monoisotopic mass: 512.26750763

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Fungi

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